通过水热法制备了一种单质镍掺杂Co3O4(Ni/Co3O4)的粉末,用伏安特性循环法研究了其电化学性能,同时根据第一性原理从原子尺度和电子结构的角度探究了Ni和Co3O4的掺杂机理。首先合成Ni/Co3O4粉末;其次对合成的材料结构及性能进行XRD和SEM表征分析,研究不同钴源及同一钴源不同钴镍比对制备的镍Ni/Co3O4形貌的影响;最后在不同缺陷和不同掺杂的影响下,建立准确的材料性能预测模型,揭示了修饰电极掺杂改性的微观机理。结果表明,不同钴源均制备出了花状形貌的Ni/Co3O4复合材料,电化学性能测试得到其比电容为670F/g;第一性原理计算所得掺杂机理,揭示了电化学修饰的Ni/Co3O4复合电极较大提高了材料的导电性能。
The Ni-doped nitrous oxide powder was successfully prepared by the hydrothermal method,and its electrochemical characteristic was tested by cycle voltammetry method.According to the first-principles,the doping mechanism of Ni and Co3O4 was explored from the perspectives of atomic scale and electronic structure.That is,firstly,Ni/Co3O4 was synthesized.Secondly,the structure and properties of the synthesized materials were characterized by X-ray diffraction and SEM,and the effects of different cobalt sources and different cobalt-nickel ratios of the same cobalt source on the morphology of the prepared Ni/Co3O4 were investigated.Finally,the experiment established an accurate prediction model influenced by different defects and different doping,revealing the microscopic mechanism of doping modification in connection with modified electrodes.The results showed that Ni-doped Co3O4 composites with flower-shaped morphology were prepared by different cobalt sources.The electrochemical performance test indicated that the specific capacitance was 670F·g-1.Furthermore,the doping mechanism calculated by first-principles calculation revealed that the electrochemically modified electrode greatly improved the electrical conductivity of the new electrode material.
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